5-(methylamino)-5-oxopentanoic acid

C6H11NO3 — CID 18343488

IUPAC5-(methylamino)-5-oxopentanoic acid
SMILESCNC(=O)CCCC(=O)O
InChIInChI=1S/C6H11NO3/c1-7-5(8)3-2-4-6(9)10/h2-4H2,1H3,(H,7,8)(H,9,10)
InChIKeyRUDZEQGATNKWHM-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.01
Rot. Bonds4

About 5-(methylamino)-5-oxopentanoic acid

5-(methylamino)-5-oxopentanoic acid (PubChem CID 18343488) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 5-(methylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(methylamino)-5-oxopentanoic acid
PubChem CID18343488
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name5-(methylamino)-5-oxopentanoic acid
SMILESCNC(=O)CCCC(=O)O
InChIInChI=1S/C6H11NO3/c1-7-5(8)3-2-4-6(9)10/h2-4H2,1H3,(H,7,8)(H,9,10)
InChIKeyRUDZEQGATNKWHM-UHFFFAOYSA-N
XLogP-0.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-5-oxopentanoic acid?
The IUPAC name of 5-(methylamino)-5-oxopentanoic acid (CID 18343488) is 5-(methylamino)-5-oxopentanoic acid.
What is the SMILES notation for 5-(methylamino)-5-oxopentanoic acid?
The canonical SMILES for 5-(methylamino)-5-oxopentanoic acid is CNC(=O)CCCC(=O)O.
What is the InChIKey of 5-(methylamino)-5-oxopentanoic acid?
The InChIKey is RUDZEQGATNKWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-7-5(8)3-2-4-6(9)10/h2-4H2,1H3,(H,7,8)(H,9,10).
What are the key properties of 5-(methylamino)-5-oxopentanoic acid?
5-(methylamino)-5-oxopentanoic acid has a molecular weight of 145.16 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-5-oxopentanoic acid is sourced from PubChem (CID 18343488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).